Geometry & MOs

Info

ID:	66021
PubChem CID:	46488147
Reduced:	BrN2O5H15C20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	344.117235
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	5.35
IP(EA), eV:	-8.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

DOS

IR

Vibrations